N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C82H99FN18O5 — CID 158216206

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCOCC(C)N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CC4CCC(C3)N4C3COC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C29H33FN6O2.C28H36N6O2.C25H30N6O/c1-17-6-28(30)27(29(37)34-19-2-3-19)10-26(17)18-11-32-35(14-18)24-9-21(12-31-13-24)33-20-7-22-4-5-23(8-20)36(22)25-15-38-16-25;1-19-4-5-21(28(35)32-23-6-7-23)12-27(19)22-14-30-34(17-22)26-13-25(15-29-16-26)31-24-8-10-33(11-9-24)20(2)18-36-3;1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h6,9-14,19-20,22-23,25,33H,2-5,7-8,15-16H2,1H3,(H,34,37);4-5,12-17,20,23-24,31H,6-11,18H2,1-3H3,(H,32,35);3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32)
InChIKeyGCRIISZXCQRVTB-UHFFFAOYSA-N
MW1435.81 g/mol
LogP11.77
Rot. Bonds22

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 158216206) has the molecular formula C82H99FN18O5 and a molecular weight of 1435.81 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID158216206
Molecular FormulaC82H99FN18O5
Molecular Weight1435.81 g/mol
Exact Mass1434.80
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCOCC(C)N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CC4CCC(C3)N4C3COC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C29H33FN6O2.C28H36N6O2.C25H30N6O/c1-17-6-28(30)27(29(37)34-19-2-3-19)10-26(17)18-11-32-35(14-18)24-9-21(12-31-13-24)33-20-7-22-4-5-23(8-20)36(22)25-15-38-16-25;1-19-4-5-21(28(35)32-23-6-7-23)12-27(19)22-14-30-34(17-22)26-13-25(15-29-16-26)31-24-8-10-33(11-9-24)20(2)18-36-3;1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h6,9-14,19-20,22-23,25,33H,2-5,7-8,15-16H2,1H3,(H,34,37);4-5,12-17,20,23-24,31H,6-11,18H2,1-3H3,(H,32,35);3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32)
InChIKeyGCRIISZXCQRVTB-UHFFFAOYSA-N
XLogP11.77
TPSA243.70 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001435.81
LogP ≤ 511.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

US10138222, Example 75
CID 134325358
US10138222, Example 74
CID 134325461
US10138222, Example 68
CID 134325340
US10138222, Example 79
CID 134325322
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[oxetan-3-yl(piperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325353
N-cyclopropyl-5-[1-[5-[[2-ethyl-6-methyl-1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134340144
N-cyclopropyl-2-fluoro-4-methyl-5-[5-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]-1H-pyrazol-4-yl]benzamide
CID 134348244
2-Fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134357960
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[2-methyl-1-(oxetan-3-yl)-6-propylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999604
N-butan-2-yl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999636
N-butan-2-yl-2-fluoro-4-methyl-5-[1-[5-[[2-methyl-1-(oxetan-3-yl)-6-propylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999637
5-[1-[5-[[2-butan-2-yl-6-methyl-1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 154999666

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 158216206) is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is COCC(C)N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CC4CCC(C3)N4C3COC3)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is GCRIISZXCQRVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O2.C28H36N6O2.C25H30N6O/c1-17-6-28(30)27(29(37)34-19-2-3-19)10-26(17)18-11-32-35(14-18)24-9-21(12-31-13-24)33-20-7-22-4-5-23(8-20)36(22)25-15-38-16-25;1-19-4-5-21(28(35)32-23-6-7-23)12-27(19)22-14-30-34(17-22)26-13-25(15-29-16-26)31-24-8-10-33(11-9-24)20(2)18-36-3;1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h6,9-14,19-20,22-23,25,33H,2-5,7-8,15-16H2,1H3,(H,34,37);4-5,12-17,20,23-24,31H,6-11,18H2,1-3H3,(H,32,35);3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 1435.81 g/mol, XLogP of 11.77, 22 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-3-[1-[5-[[1-(1-methoxypropan-2-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 158216206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).